1-tridecylpiperazine

C17H36N2 — CID 12930912

IUPAC1-tridecylpiperazine
SMILESCCCCCCCCCCCCCN1CCNCC1
InChIInChI=1S/C17H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-16-13-18-14-17-19/h18H,2-17H2,1H3
InChIKeyIBJXOYDWABRYGK-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.20
Rot. Bonds12

About 1-tridecylpiperazine

1-tridecylpiperazine (PubChem CID 12930912) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-tridecylpiperazine.

Molecular Properties

Compound Name1-tridecylpiperazine
PubChem CID12930912
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-tridecylpiperazine
SMILESCCCCCCCCCCCCCN1CCNCC1
InChIInChI=1S/C17H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-16-13-18-14-17-19/h18H,2-17H2,1H3
InChIKeyIBJXOYDWABRYGK-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tridecylpiperazine?
The IUPAC name of 1-tridecylpiperazine (CID 12930912) is 1-tridecylpiperazine.
What is the SMILES notation for 1-tridecylpiperazine?
The canonical SMILES for 1-tridecylpiperazine is CCCCCCCCCCCCCN1CCNCC1.
What is the InChIKey of 1-tridecylpiperazine?
The InChIKey is IBJXOYDWABRYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-16-13-18-14-17-19/h18H,2-17H2,1H3.
What are the key properties of 1-tridecylpiperazine?
1-tridecylpiperazine has a molecular weight of 268.49 g/mol, XLogP of 4.20, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tridecylpiperazine is sourced from PubChem (CID 12930912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).